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19 lines
510 B
FortranFixed
19 lines
510 B
FortranFixed
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program cisd
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implicit none
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integer :: i,k
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double precision, allocatable :: pt2(:), norm_pert(:), H_pert_diag(:)
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integer :: N_st, degree
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N_det=10000
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do i=1,N_det
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do k=1,N_int
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psi_det(k,1,i) = psi_det_sorted(k,1,i)
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psi_det(k,2,i) = psi_det_sorted(k,2,i)
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enddo
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psi_coef(k,:) = psi_coef_sorted(k,:)
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enddo
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TOUCH psi_det psi_coef psi_det_sorted psi_coef_sorted psi_average_norm_contrib_sorted N_det
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call save_wavefunction
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end
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